BDBM50335803 3-hydroxy-2-methyl-4H-pyran-4-thione::CHEMBL1650615::Thiomaltol

SMILES Cc1occc(=S)c1O

InChI Key InChIKey=GKLSXUGPECNEMX-UHFFFAOYSA-N

Data  1 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50335803   

TargetBeta-lactamase(Bacillus anthracis)
Baylor University

LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataKi:  8.50E+4nMpH: 7.0Assay Description:Progress curves for slow-binding inhibition analysis were obtained by adding nitrocefin (final concentration 36 μM) to a solution containing enz...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Bacillus anthracis)
Baylor University

LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataIC50:  2.90E+5nMpH: 7.0Assay Description:Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Bacillus anthracis)
Baylor University

LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataIC50:  2.35E+5nMpH: 7.0Assay Description:Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Bacillus anthracis)
Baylor University

LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataIC50:  2.04E+5nMpH: 7.0Assay Description:Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of human recombinant 5-lipoxygenase after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Bacillus anthracis)
Baylor University

LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataIC50:  1.59E+5nMpH: 7.0Assay Description:Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
University Of California

Curated by ChEMBL
LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of mushroom tyrosinase after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Bacillus anthracis)
Baylor University

LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataIC50:  3.67E+5nMpH: 7.0Assay Description:Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Bacillus anthracis)
Baylor University

LigandPNGBDBM50335803(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Affinity DataIC50:  1.68E+5nMpH: 7.0Assay Description:Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed